N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide

C₁₆H₃₁N₃O₂S — CID 119942509

About N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide

N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119942509) has the molecular formula C₁₆H₃₁N₃O₂S and a molecular weight of 329.51 g/mol. Its IUPAC name is N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

• Compound Name: N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide
• PubChem CID: 119942509
• Molecular Formula: C₁₆H₃₁N₃O₂S
• Molecular Weight: 329.51 g/mol
• Exact Mass: 329.21
• IUPAC Name: N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide
• SMILES: CC(C)OCCN1CCC(NC(=O)CC2CSCCN2)CC1
• InChI: InChI=1S/C16H31N3O2S/c1-13(2)21-9-8-19-6-3-14(4-7-19)18-16(20)11-15-12-22-10-5-17-15/h13-15,17H,3-12H2,1-2H3,(H,18,20)
• InChIKey: RUWVXNIJLMPPPX-UHFFFAOYSA-N
• XLogP: 1.09
• TPSA: 53.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.51
LogP ≤ 5	1.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide?

The IUPAC name of N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide (CID 119942509) is N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide.

What is the SMILES notation for N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide?

The canonical SMILES for N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide is CC(C)OCCN1CCC(NC(=O)CC2CSCCN2)CC1.

What is the InChIKey of N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide?

The InChIKey is RUWVXNIJLMPPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2S/c1-13(2)21-9-8-19-6-3-14(4-7-19)18-16(20)11-15-12-22-10-5-17-15/h13-15,17H,3-12H2,1-2H3,(H,18,20).

What are the key properties of N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide?

N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 329.51 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119942509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 119942509 — identifiers, structure, computed properties (public domain)

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